5312837
  CDK     0908232200

 21 20  0  0  0  0  0  0  0  0999 V2000
    8.7949   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5108    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0818    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3 14  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  3  0  0  0  0 
 17 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 20 21  3  0  0  0  0 
M  END
> <ID>
CHEBI:197132

> <NAME>
8-hydroxy-10,12-octadecadiynoic acid

> <STAR>
2

> <IUPAC_NAME>
8-hydroxyoctadeca-10,12-diynoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.419

> <MONOISOTOPIC_MASS>
292.20384

> <CHARGE>
0

> <SMILES>
OC(CCCCCCC(O)=O)CC#CC#CCCCCC

> <INCHI>
InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-5,9-10,12-16H2,1H3,(H,20,21)

> <INCHIKEY>
BEXXCDTWFLMRDJ-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050285

$$$$